Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKQIEFFFDFGSPTTYLAWTQLPRIAAAHG--ASIAWRPMLLGGVFKATGNHSPIEVPAKGRYTLHDLARYAKRYGVPLAFNPA----FPINTLTLMRGAQGYLGG--EGFQPYLKAVFEALWVRQQNLGKPEVVAQVLAEAGFDPDEFLRLVGDEQVKEGLKATTEEAVRRGVFGAPSFFVGDQ----L-FFGQDRLDFVAEVLAG
2IN3 Chain:A ((7-206))
-KPVLWYIADPMCSWCWGFAPVIENIRQEYSAFLTVKIMPG-----GT---NTP--LLPEKRAQILHHWHSVHITTGQPFTFENALPEGFIYDTEPACRGVVSVSLIEPEKVFPFFAAIQRAFYVGQEDVAQLAILKKLAVDLGIPESRFTPVFQSDEAKQRTLAGFQRVAQWGISGFPALVVESGTDRYLITTGYRPIEALRQLLDT
General information:
TITO was launched using:
RESULT:
Template:
2IN3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103761 for 1396 contacts (-74.3/contact) +
2D Compatibility (PS) -19555 + (NN) -4609 + (LL) 496
1D Compatibility (HY) -8000 + (ID) 1650
Total energy: -137079.0 ( -98.19 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_2IN3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IN3-query.scw
PDB file :
Tito_Scwrl_2IN3.pdb
: